Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
-3.8860 3.3544 0.6145 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9432 3.2554 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5603 3.6710 0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6410 2.6053 -0.0685 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8302 1.4695 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8071 1.4319 1.4790 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0764 0.2963 0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4821 0.6580 1.0252 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4270 -0.4751 0.9976 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1184 -1.6594 0.7143 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7759 -0.2664 1.3017 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7029 -1.3558 1.2788 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0585 -0.8025 1.6494 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0774 -0.8904 0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0238 -0.2622 -0.7528 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4377 -0.6641 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3563 -0.5396 -0.1791 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7320 -1.2039 -2.2570 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0549 -1.6084 -2.5746 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5586 -2.6650 -1.6593 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9307 -3.8521 -2.1003 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3781 -0.6745 1.5268 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6896 3.7373 1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9024 3.0670 0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2059 2.8652 -1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5665 4.0984 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3002 4.4933 -0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9001 1.4582 0.3442 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5282 1.1128 2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7575 -1.8254 0.2964 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4290 -2.0857 2.0746 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1995 -0.3260 2.6075 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9443 -1.3636 -0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0332 -0.4954 1.0942 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1598 0.6130 -1.4438 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6717 -1.0671 -0.9721 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7636 -0.7416 -2.4781 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1221 -1.9354 -3.6228 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6241 -2.4578 -0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8678 -4.0633 -3.1576 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2931 -4.6127 -1.4434 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8669 -0.2934 2.2925 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers